6-chloranyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-4-propyl-chromen-2-one

Systemtic Name: 6-chloranyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-4-propyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-propyl-chromen-2-one CAS Name: 6-chloro-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4-propyl-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-propylchromen-2-one Traditional Name: 6-chloro-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-propyl-coumarin Formula: C18H25ClN2O3+2 MolecularWeight: 352.8557

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C18H23ClN2O3/c1-3-4-12-9-16(22)24-18-13(12)10-15(19)17(23)14(18)11-21-7-5-20(2)6-8-21/h9-10,23H,3-8,11H2,1-2H3/p+2